SpectraBase Spectrum ID |
BGfo6L1nvH8 |
Name |
N-(4-Chlorophenylmethylene)-2-[4-(triphenylmethoxy)phenoxy]benzamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
565.180856844 u |
Formula |
C38H28ClNO2 |
InChI |
InChI=1S/C38H28ClNO2/c39-33-22-20-29(21-23-33)28-40-36-18-10-11-19-37(36)41-34-24-26-35(27-25-34)42-38(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-28H/b40-28+ |
InChIKey |
PQKHUVGQIIHXLG-JFXHSDHMSA-N |
Molecular Weight |
566.100 g/mol |
SMILES |
C(OC1=CC=C(OC=2C(\N=C\C3=CC=C(C=C3)Cl)=CC=CC2)C=C1)(C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941154 |